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Chemistry Teaching Labs
  • Home
  • Techniques
    • Basic Techniques
      • Lab book
        • General aspects of lab book use
        • What to write in your lab book
        • Reagent Tables
        • Exemplars
      • Assembling glassware
        • Location
        • Clamping
        • Stirring & heating
        • Videos (Assembling glassware)
      • Weighing & Measuring
        • Weighing solids
        • Using a measuring cylinder
        • Adding material to a flask
        • Videos (Weighing and measuring)
      • Pasteur Pipettes
        • Using a Pasteur pipette
        • Videos (Using a Pasteur pipette)
      • Cleaning glassware
    • Reaction Techniques
      • Reflux
        • Setting up a reflux
        • Videos (Reflux)
      • Thin Layer Chromatography
        • General procedure
        • Visualising plates
        • Determining a solvent system
        • Issues
        • Videos (TLC)
      • Filtration
        • Vacuum Filtration
          • Sinter filtration
          • Buchner filtration
          • Hirsch Funnel
          • Receiving flasks
          • Videos (Vacuum Filtration)
        • Gravity Filtration
        • Microscale Filtration
        • Active Filtration
      • Aqueous Workup
        • Theory of Aqueous Workup
        • Extractions vs Washes
        • Using a separatory funnel
        • Problems with extractions
        • Videos (Workup)
      • Removing residual water from organic solutions
      • Rotary evaporators
        • Models and Instructions
        • Videos (Rotary evaporator)
      • Cooling
      • Greasing joints
        • When to use grease
        • Applying grease
        • Videos (Greasing joints)
    • Purification
      • Recrystallisation
        • Solvent Choice
        • Single-solvents
        • Mixed-solvents
        • Mother liquors
        • Problems with Recrystallisations
        • Videos (Recrystallisation)
      • Distillation
        • Mini-distillation
        • Fractional distillation
        • Steam distillation
        • Distillation Condensers
        • Videos (Distillation)
      • Flash Column Chromatography
        • Determining suitable separation conditions
        • Preparing & loading the column
        • Running & identifying fractions
        • Cleaning up
        • Videos (Flash Column Chromatography)
      • Microcolumns
        • Procedure (Microcolumns)
        • Videos (Microcolumns)
      • Solid Phase Extraction
        • Procedure (SPE)
        • Videos (SPE)
    • Quantification
      • Volumetric glassware
        • Types of Pipettes
        • Using pipettes
        • Preparing solutions from Solids
        • Preparing solutions via dilution
        • Videos (Volumetric glassware)
      • Micropipetting
        • When to Use Micropipettes
        • Micropipetting Technique
        • Hints & tips
        • Videos (Micropipetting)
    • Air Sensitive
      • Balloons & Septa
        • Step by step process for purging a flask
        • Videos (Balloons & Septa)
      • Needles & syringes
        • Measuring volumes using needles and syringes under a modified atmosphere
        • Measuring volumes using needles and syringes from an open bottle
        • Videos (Needles & syringes)
      • Using oven dried glassware
      • Schlenk Lines
        • The Schlenk line
        • Schlenk safety
        • Schlenk flasks
          • Schlenk flask: assembly
        • Schlenk: other glassware and equipment
        • Schlenks: greasing
        • Schlenk line: setup
        • Schlenk line: periodic checks
        • Schlenk line: shutdown
        • Schlenk: purging
        • Schlenk: adding solids
        • Schlenk: adding liquids & solvents
        • Schlenk: Cleaning
        • Schlenk: reflux under an inert atmosphere
        • Schlenk: cannula transfer
        • Schlenk: cannula filtration
        • Schlenk: solvent removal
        • Schlenk: Residual solvent removal
        • Schlenk: Solvent degassing under nitrogen
        • Schlenk: Freeze-thaw degassing
        • Schlenk: Flame drying
        • Schlenk: videos
      • Glove boxes
      • Gas lines for spectroscopy
        • Gas Sources
        • Line Setup
        • Filling IR cells
        • Emptying IR Cells and Shutdown
      • Modified atmosphere gas flows
        • Nitrogen bubbler setup
        • Common Problems
        • Bubbler video
      • Drying Tubes
      • Degassing solvents
    • Specialist
      • Soxhlet Extraction
        • Soxhlet: Theory
        • Soxhlet: Setup
      • Kjeldahl
        • Kjeldahl Digestion
        • Kjeldahl Distillation
      • Dean-Stark
        • Dean Stark Trap
        • Reverse Dean Stark Trap
      • Soldering
  • Instrumentation
    • Accessing instrument data
      • Access
        • Webfiles
        • SFTP
        • SMB
      • Instrument types
        • Walk up
        • Sample submission
      • File formats
        • Portable Document Format
        • Reprocessable formats
        • Raw data
        • Proprietary formats
    • Infrared Spectroscopy
      • Attenuated Total Reflectance (ATR)
        • ATR: Data recording
      • Transmission IR
      • Bruker Alpha II
      • Perkin Elmer Spectrum 2
    • UV-Visible Spectroscopy
      • Thermo Genesis 180
      • Jenway 7415
      • Compact Photometers
      • Shimadzu UV-2600
      • Shimadzu UV-1800
    • NMR Spectroscopy
      • Preparing an NMR sample
      • Sample submission (NMR)
      • NMR experiments
      • Recording an NMR
      • Accessing data (NMR)
      • Bruker AVIII300NB UltraShield
    • Melting Point Apparatus
      • Melting point: Recording a range
      • Melting point: Common issues
      • Digimelt MPA161
      • Stuart SMP20
      • Stuart SMP30
      • Stuart SMP3
      • Gallenkamp MFB 595 010M
    • Gas Chromatography
      • ATI Unicam 610 GC
      • Thermo Trace 1300 GC
      • Agilent 6850 GC
      • Methods
    • High Performance Liquid Chromatography
      • Jasco
      • Agilent
      • Methods
    • Fluorimetry
      • Shimadzu RF-5301
    • Stopped-Flow
      • Stopped-Flow Apparatus
    • pH Determination
      • Jenway 3505
    • Microscopy
      • Olympus BX40 Microscope
    • Viscometry
      • Brookfield RVDV-E Viscometer
    • Cyclic Voltammetry
      • PalmSens EmStat3
    • Magnetic Susceptibility
      • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
    • Mass Spectrometry
      • MS: Ionisation methods
    • Single Crystal X-ray Diffraction
      • scXRD: Instrument guide
      • scXRD: Growing single crystals
      • scXRD: Identifying suitable crystals
      • scXRD: Crystal gallery
      • scXRD: Mounting single crystals
      • scXRD: Data acquisition
      • scXRD: Structure solving
      • scXRD: Rigaku XtaLAB Synergy
    • 3D Printing
      • Bambu Labs H2D
      • 3D printing of scXRD structures
      • 3D printing gallery
    • Chromatography Service
    • Elemental Analysis
  • Data Analysis & Reporting
    • Analytical Techniques
      • IR spectroscopy
        • Interpretation of ATR-IR spectra
        • IR frequency table
      • UV-vis spectroscopy
      • NMR spectroscopy
      • Mass spectrometry
      • Single Crystal XRD
        • scXRD: Unit cell parameters
      • Melting point range analysis
    • Data manipulation
      • Reaction metrics
        • Reaction metrics: Yield
        • Reaction metrics: Atom economy
        • Reaction metrics: Process Mass Intensity
        • Reaction metrics: Worked example comparing metrics
        • Reaction metrics: Multistep reactions
      • Regression
        • Linear regression
        • Non-linear regression
      • Spreadsheets
    • Programming in Python
      • Executing python scripts
      • Graphs and Regression
      • Advanced graphs
      • Mass spectrometry isotope patterns
      • File format conversions
      • Photometer practical
    • Scientific Communication
      • Presentations
      • Abbreviations
      • Inserting Symbols
      • Referencing
      • ORCID
      • Style Guide
    • Software
      • ChemDraw
      • Mercury
      • Spectrus
  • The Lab
    • Laboratory
      • Main Laboratory
      • Instrument Room
      • Foyer
      • Prep Room
      • Accessibility
      • 3D Tour
      • Staff
    • Equipment
      • Fume Hood Lockers
      • Service Beams
      • Around the Lab
    • Glassware
      • General
      • Specialist
      • Joints, Adapters and Keck Clips
  • Sources of information
    • University
    • Journals
    • Suppliers and procurement
    • Databases
    • Youtube Channel
  • Safety
    • Risk Assessments
    • PPE
    • Waste Disposal
    • Fire and Fire Alarms
    • Accident Response
    • ChemSafety
  • Submission Hub
    • NMR
      • NMR Results
    • HPLC
      • HPLC Results
    • GC
      • GC results
    • Single Crystal XRD
    • Mass Spec
    • Elemental Analysis
  • Research Orientated Undergraduate Taught Experiments
    • 2024-2025
Chemistry Teaching Labs
  • Home
  • Techniques
    • Basic Techniques
      • Lab book
        • General aspects of lab book use
        • What to write in your lab book
        • Reagent Tables
        • Exemplars
      • Assembling glassware
        • Location
        • Clamping
        • Stirring & heating
        • Videos (Assembling glassware)
      • Weighing & Measuring
        • Weighing solids
        • Using a measuring cylinder
        • Adding material to a flask
        • Videos (Weighing and measuring)
      • Pasteur Pipettes
        • Using a Pasteur pipette
        • Videos (Using a Pasteur pipette)
      • Cleaning glassware
    • Reaction Techniques
      • Reflux
        • Setting up a reflux
        • Videos (Reflux)
      • Thin Layer Chromatography
        • General procedure
        • Visualising plates
        • Determining a solvent system
        • Issues
        • Videos (TLC)
      • Filtration
        • Vacuum Filtration
          • Sinter filtration
          • Buchner filtration
          • Hirsch Funnel
          • Receiving flasks
          • Videos (Vacuum Filtration)
        • Gravity Filtration
        • Microscale Filtration
        • Active Filtration
      • Aqueous Workup
        • Theory of Aqueous Workup
        • Extractions vs Washes
        • Using a separatory funnel
        • Problems with extractions
        • Videos (Workup)
      • Removing residual water from organic solutions
      • Rotary evaporators
        • Models and Instructions
        • Videos (Rotary evaporator)
      • Cooling
      • Greasing joints
        • When to use grease
        • Applying grease
        • Videos (Greasing joints)
    • Purification
      • Recrystallisation
        • Solvent Choice
        • Single-solvents
        • Mixed-solvents
        • Mother liquors
        • Problems with Recrystallisations
        • Videos (Recrystallisation)
      • Distillation
        • Mini-distillation
        • Fractional distillation
        • Steam distillation
        • Distillation Condensers
        • Videos (Distillation)
      • Flash Column Chromatography
        • Determining suitable separation conditions
        • Preparing & loading the column
        • Running & identifying fractions
        • Cleaning up
        • Videos (Flash Column Chromatography)
      • Microcolumns
        • Procedure (Microcolumns)
        • Videos (Microcolumns)
      • Solid Phase Extraction
        • Procedure (SPE)
        • Videos (SPE)
    • Quantification
      • Volumetric glassware
        • Types of Pipettes
        • Using pipettes
        • Preparing solutions from Solids
        • Preparing solutions via dilution
        • Videos (Volumetric glassware)
      • Micropipetting
        • When to Use Micropipettes
        • Micropipetting Technique
        • Hints & tips
        • Videos (Micropipetting)
    • Air Sensitive
      • Balloons & Septa
        • Step by step process for purging a flask
        • Videos (Balloons & Septa)
      • Needles & syringes
        • Measuring volumes using needles and syringes under a modified atmosphere
        • Measuring volumes using needles and syringes from an open bottle
        • Videos (Needles & syringes)
      • Using oven dried glassware
      • Schlenk Lines
        • The Schlenk line
        • Schlenk safety
        • Schlenk flasks
          • Schlenk flask: assembly
        • Schlenk: other glassware and equipment
        • Schlenks: greasing
        • Schlenk line: setup
        • Schlenk line: periodic checks
        • Schlenk line: shutdown
        • Schlenk: purging
        • Schlenk: adding solids
        • Schlenk: adding liquids & solvents
        • Schlenk: Cleaning
        • Schlenk: reflux under an inert atmosphere
        • Schlenk: cannula transfer
        • Schlenk: cannula filtration
        • Schlenk: solvent removal
        • Schlenk: Residual solvent removal
        • Schlenk: Solvent degassing under nitrogen
        • Schlenk: Freeze-thaw degassing
        • Schlenk: Flame drying
        • Schlenk: videos
      • Glove boxes
      • Gas lines for spectroscopy
        • Gas Sources
        • Line Setup
        • Filling IR cells
        • Emptying IR Cells and Shutdown
      • Modified atmosphere gas flows
        • Nitrogen bubbler setup
        • Common Problems
        • Bubbler video
      • Drying Tubes
      • Degassing solvents
    • Specialist
      • Soxhlet Extraction
        • Soxhlet: Theory
        • Soxhlet: Setup
      • Kjeldahl
        • Kjeldahl Digestion
        • Kjeldahl Distillation
      • Dean-Stark
        • Dean Stark Trap
        • Reverse Dean Stark Trap
      • Soldering
  • Instrumentation
    • Accessing instrument data
      • Access
        • Webfiles
        • SFTP
        • SMB
      • Instrument types
        • Walk up
        • Sample submission
      • File formats
        • Portable Document Format
        • Reprocessable formats
        • Raw data
        • Proprietary formats
    • Infrared Spectroscopy
      • Attenuated Total Reflectance (ATR)
        • ATR: Data recording
      • Transmission IR
      • Bruker Alpha II
      • Perkin Elmer Spectrum 2
    • UV-Visible Spectroscopy
      • Thermo Genesis 180
      • Jenway 7415
      • Compact Photometers
      • Shimadzu UV-2600
      • Shimadzu UV-1800
    • NMR Spectroscopy
      • Preparing an NMR sample
      • Sample submission (NMR)
      • NMR experiments
      • Recording an NMR
      • Accessing data (NMR)
      • Bruker AVIII300NB UltraShield
    • Melting Point Apparatus
      • Melting point: Recording a range
      • Melting point: Common issues
      • Digimelt MPA161
      • Stuart SMP20
      • Stuart SMP30
      • Stuart SMP3
      • Gallenkamp MFB 595 010M
    • Gas Chromatography
      • ATI Unicam 610 GC
      • Thermo Trace 1300 GC
      • Agilent 6850 GC
      • Methods
    • High Performance Liquid Chromatography
      • Jasco
      • Agilent
      • Methods
    • Fluorimetry
      • Shimadzu RF-5301
    • Stopped-Flow
      • Stopped-Flow Apparatus
    • pH Determination
      • Jenway 3505
    • Microscopy
      • Olympus BX40 Microscope
    • Viscometry
      • Brookfield RVDV-E Viscometer
    • Cyclic Voltammetry
      • PalmSens EmStat3
    • Magnetic Susceptibility
      • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
    • Mass Spectrometry
      • MS: Ionisation methods
    • Single Crystal X-ray Diffraction
      • scXRD: Instrument guide
      • scXRD: Growing single crystals
      • scXRD: Identifying suitable crystals
      • scXRD: Crystal gallery
      • scXRD: Mounting single crystals
      • scXRD: Data acquisition
      • scXRD: Structure solving
      • scXRD: Rigaku XtaLAB Synergy
    • 3D Printing
      • Bambu Labs H2D
      • 3D printing of scXRD structures
      • 3D printing gallery
    • Chromatography Service
    • Elemental Analysis
  • Data Analysis & Reporting
    • Analytical Techniques
      • IR spectroscopy
        • Interpretation of ATR-IR spectra
        • IR frequency table
      • UV-vis spectroscopy
      • NMR spectroscopy
      • Mass spectrometry
      • Single Crystal XRD
        • scXRD: Unit cell parameters
      • Melting point range analysis
    • Data manipulation
      • Reaction metrics
        • Reaction metrics: Yield
        • Reaction metrics: Atom economy
        • Reaction metrics: Process Mass Intensity
        • Reaction metrics: Worked example comparing metrics
        • Reaction metrics: Multistep reactions
      • Regression
        • Linear regression
        • Non-linear regression
      • Spreadsheets
    • Programming in Python
      • Executing python scripts
      • Graphs and Regression
      • Advanced graphs
      • Mass spectrometry isotope patterns
      • File format conversions
      • Photometer practical
    • Scientific Communication
      • Presentations
      • Abbreviations
      • Inserting Symbols
      • Referencing
      • ORCID
      • Style Guide
    • Software
      • ChemDraw
      • Mercury
      • Spectrus
  • The Lab
    • Laboratory
      • Main Laboratory
      • Instrument Room
      • Foyer
      • Prep Room
      • Accessibility
      • 3D Tour
      • Staff
    • Equipment
      • Fume Hood Lockers
      • Service Beams
      • Around the Lab
    • Glassware
      • General
      • Specialist
      • Joints, Adapters and Keck Clips
  • Sources of information
    • University
    • Journals
    • Suppliers and procurement
    • Databases
    • Youtube Channel
  • Safety
    • Risk Assessments
    • PPE
    • Waste Disposal
    • Fire and Fire Alarms
    • Accident Response
    • ChemSafety
  • Submission Hub
    • NMR
      • NMR Results
    • HPLC
      • HPLC Results
    • GC
      • GC results
    • Single Crystal XRD
    • Mass Spec
    • Elemental Analysis
  • Research Orientated Undergraduate Taught Experiments
    • 2024-2025
  • More
    • Home
    • Techniques
      • Basic Techniques
        • Lab book
          • General aspects of lab book use
          • What to write in your lab book
          • Reagent Tables
          • Exemplars
        • Assembling glassware
          • Location
          • Clamping
          • Stirring & heating
          • Videos (Assembling glassware)
        • Weighing & Measuring
          • Weighing solids
          • Using a measuring cylinder
          • Adding material to a flask
          • Videos (Weighing and measuring)
        • Pasteur Pipettes
          • Using a Pasteur pipette
          • Videos (Using a Pasteur pipette)
        • Cleaning glassware
      • Reaction Techniques
        • Reflux
          • Setting up a reflux
          • Videos (Reflux)
        • Thin Layer Chromatography
          • General procedure
          • Visualising plates
          • Determining a solvent system
          • Issues
          • Videos (TLC)
        • Filtration
          • Vacuum Filtration
            • Sinter filtration
            • Buchner filtration
            • Hirsch Funnel
            • Receiving flasks
            • Videos (Vacuum Filtration)
          • Gravity Filtration
          • Microscale Filtration
          • Active Filtration
        • Aqueous Workup
          • Theory of Aqueous Workup
          • Extractions vs Washes
          • Using a separatory funnel
          • Problems with extractions
          • Videos (Workup)
        • Removing residual water from organic solutions
        • Rotary evaporators
          • Models and Instructions
          • Videos (Rotary evaporator)
        • Cooling
        • Greasing joints
          • When to use grease
          • Applying grease
          • Videos (Greasing joints)
      • Purification
        • Recrystallisation
          • Solvent Choice
          • Single-solvents
          • Mixed-solvents
          • Mother liquors
          • Problems with Recrystallisations
          • Videos (Recrystallisation)
        • Distillation
          • Mini-distillation
          • Fractional distillation
          • Steam distillation
          • Distillation Condensers
          • Videos (Distillation)
        • Flash Column Chromatography
          • Determining suitable separation conditions
          • Preparing & loading the column
          • Running & identifying fractions
          • Cleaning up
          • Videos (Flash Column Chromatography)
        • Microcolumns
          • Procedure (Microcolumns)
          • Videos (Microcolumns)
        • Solid Phase Extraction
          • Procedure (SPE)
          • Videos (SPE)
      • Quantification
        • Volumetric glassware
          • Types of Pipettes
          • Using pipettes
          • Preparing solutions from Solids
          • Preparing solutions via dilution
          • Videos (Volumetric glassware)
        • Micropipetting
          • When to Use Micropipettes
          • Micropipetting Technique
          • Hints & tips
          • Videos (Micropipetting)
      • Air Sensitive
        • Balloons & Septa
          • Step by step process for purging a flask
          • Videos (Balloons & Septa)
        • Needles & syringes
          • Measuring volumes using needles and syringes under a modified atmosphere
          • Measuring volumes using needles and syringes from an open bottle
          • Videos (Needles & syringes)
        • Using oven dried glassware
        • Schlenk Lines
          • The Schlenk line
          • Schlenk safety
          • Schlenk flasks
            • Schlenk flask: assembly
          • Schlenk: other glassware and equipment
          • Schlenks: greasing
          • Schlenk line: setup
          • Schlenk line: periodic checks
          • Schlenk line: shutdown
          • Schlenk: purging
          • Schlenk: adding solids
          • Schlenk: adding liquids & solvents
          • Schlenk: Cleaning
          • Schlenk: reflux under an inert atmosphere
          • Schlenk: cannula transfer
          • Schlenk: cannula filtration
          • Schlenk: solvent removal
          • Schlenk: Residual solvent removal
          • Schlenk: Solvent degassing under nitrogen
          • Schlenk: Freeze-thaw degassing
          • Schlenk: Flame drying
          • Schlenk: videos
        • Glove boxes
        • Gas lines for spectroscopy
          • Gas Sources
          • Line Setup
          • Filling IR cells
          • Emptying IR Cells and Shutdown
        • Modified atmosphere gas flows
          • Nitrogen bubbler setup
          • Common Problems
          • Bubbler video
        • Drying Tubes
        • Degassing solvents
      • Specialist
        • Soxhlet Extraction
          • Soxhlet: Theory
          • Soxhlet: Setup
        • Kjeldahl
          • Kjeldahl Digestion
          • Kjeldahl Distillation
        • Dean-Stark
          • Dean Stark Trap
          • Reverse Dean Stark Trap
        • Soldering
    • Instrumentation
      • Accessing instrument data
        • Access
          • Webfiles
          • SFTP
          • SMB
        • Instrument types
          • Walk up
          • Sample submission
        • File formats
          • Portable Document Format
          • Reprocessable formats
          • Raw data
          • Proprietary formats
      • Infrared Spectroscopy
        • Attenuated Total Reflectance (ATR)
          • ATR: Data recording
        • Transmission IR
        • Bruker Alpha II
        • Perkin Elmer Spectrum 2
      • UV-Visible Spectroscopy
        • Thermo Genesis 180
        • Jenway 7415
        • Compact Photometers
        • Shimadzu UV-2600
        • Shimadzu UV-1800
      • NMR Spectroscopy
        • Preparing an NMR sample
        • Sample submission (NMR)
        • NMR experiments
        • Recording an NMR
        • Accessing data (NMR)
        • Bruker AVIII300NB UltraShield
      • Melting Point Apparatus
        • Melting point: Recording a range
        • Melting point: Common issues
        • Digimelt MPA161
        • Stuart SMP20
        • Stuart SMP30
        • Stuart SMP3
        • Gallenkamp MFB 595 010M
      • Gas Chromatography
        • ATI Unicam 610 GC
        • Thermo Trace 1300 GC
        • Agilent 6850 GC
        • Methods
      • High Performance Liquid Chromatography
        • Jasco
        • Agilent
        • Methods
      • Fluorimetry
        • Shimadzu RF-5301
      • Stopped-Flow
        • Stopped-Flow Apparatus
      • pH Determination
        • Jenway 3505
      • Microscopy
        • Olympus BX40 Microscope
      • Viscometry
        • Brookfield RVDV-E Viscometer
      • Cyclic Voltammetry
        • PalmSens EmStat3
      • Magnetic Susceptibility
        • Sherwood Scientific Magnetic Susceptibility Balance Mk 1
      • Mass Spectrometry
        • MS: Ionisation methods
      • Single Crystal X-ray Diffraction
        • scXRD: Instrument guide
        • scXRD: Growing single crystals
        • scXRD: Identifying suitable crystals
        • scXRD: Crystal gallery
        • scXRD: Mounting single crystals
        • scXRD: Data acquisition
        • scXRD: Structure solving
        • scXRD: Rigaku XtaLAB Synergy
      • 3D Printing
        • Bambu Labs H2D
        • 3D printing of scXRD structures
        • 3D printing gallery
      • Chromatography Service
      • Elemental Analysis
    • Data Analysis & Reporting
      • Analytical Techniques
        • IR spectroscopy
          • Interpretation of ATR-IR spectra
          • IR frequency table
        • UV-vis spectroscopy
        • NMR spectroscopy
        • Mass spectrometry
        • Single Crystal XRD
          • scXRD: Unit cell parameters
        • Melting point range analysis
      • Data manipulation
        • Reaction metrics
          • Reaction metrics: Yield
          • Reaction metrics: Atom economy
          • Reaction metrics: Process Mass Intensity
          • Reaction metrics: Worked example comparing metrics
          • Reaction metrics: Multistep reactions
        • Regression
          • Linear regression
          • Non-linear regression
        • Spreadsheets
      • Programming in Python
        • Executing python scripts
        • Graphs and Regression
        • Advanced graphs
        • Mass spectrometry isotope patterns
        • File format conversions
        • Photometer practical
      • Scientific Communication
        • Presentations
        • Abbreviations
        • Inserting Symbols
        • Referencing
        • ORCID
        • Style Guide
      • Software
        • ChemDraw
        • Mercury
        • Spectrus
    • The Lab
      • Laboratory
        • Main Laboratory
        • Instrument Room
        • Foyer
        • Prep Room
        • Accessibility
        • 3D Tour
        • Staff
      • Equipment
        • Fume Hood Lockers
        • Service Beams
        • Around the Lab
      • Glassware
        • General
        • Specialist
        • Joints, Adapters and Keck Clips
    • Sources of information
      • University
      • Journals
      • Suppliers and procurement
      • Databases
      • Youtube Channel
    • Safety
      • Risk Assessments
      • PPE
      • Waste Disposal
      • Fire and Fire Alarms
      • Accident Response
      • ChemSafety
    • Submission Hub
      • NMR
        • NMR Results
      • HPLC
        • HPLC Results
      • GC
        • GC results
      • Single Crystal XRD
      • Mass Spec
      • Elemental Analysis
    • Research Orientated Undergraduate Taught Experiments
      • 2024-2025

Programming in Python

Getting started with Python

Simple graphs and regression lines

Advanced graphs

Isotope patterns for Mass Spec

File format conversions

Photometer lab practical

Simple graphs and regression lines

Python is routinely used to produce plots of data. While spreadsheets offer an alternative route for simple graphs, the using Python is especially useful for repetitive analysis, as the same script can be applied to many files. Python also gives access to many types of plot which are beyond the capabilities of a spreadsheet application; see the Advanced plots page for some examples. The guides to regression may be useful to read in conjunction with this page.

Graph plotting script

plot.py (python) ↓ (GitHub) - Right click and Save Link As... to download.


This script reads in data from CSV files and outputs graphs, and can be run on single, multiple or all CSV files within a directory. The script can be modified to produce many different plots, and is able to perform linear and non linear regression.


The script accepts filenames as arguments, eg:


  • python plot.py file1.csv

  • python plot.py file1.csv file2.csv

  • python plot.py *.csv


The script includes a number of configurable options which can be set in the script including:


  • Defining columns to be used for the x and y values

  • Axes labels

  • Limits for the axes

  • Data manipulation (see guide)


The script is capable of carrying out calculations on the data prior to plotting. This might be a simple unit conversion, eg time in minutes to time in seconds, where x = x*60, or might involve more complex functions.The document below contains some example calculations. The calculations are using numpy. If you wish to perform an arithmetic function not listed in the support document, try searching 'numpy' and the function you wish to use.


Example functions (PDF) ↓

Adding regression lines

The plot.py script can also be modified to add a linear or non-linear regression line to the plot. This is not enabled by default, but is easy to include by modifying the variable fit to be equal to True at the start of the script. This will add a linear line of best fit to your data. In addition, if the variable output is set to True a new csv file will be created containing the linear fit parameters for every data file processed by the script. 


Alternatively, you can add an additional argument when you run the script to fit a custom function to the data. The functions "linear" and "quadratic" are already defined in the code; any user defined function (e.g. exponential, trigonometric) can be added to the script and then added as an argument when running the script. Note that the name of the function you wish to fit must be the final argument:


  • python plot.py file1.csv linear

  • python plot.py file1.csv file2.csv quadratic

  • python plot.py *.csv my_special_function


When adding a regression line in this way, the fit parameters are always output.

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